PubChemLite - 6025-53-2 (C15H21N5O5)

Structural Information

Molecular Formula

SMILES

C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO

InChI

InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1

InChIKey

GOSWTRUMMSCNCW-HNNGNKQASA-N

Compound name

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.16155	182.1
[M+Na]+	374.14349	189.8
[M+NH4]+	369.18809	184.4
[M+K]+	390.11743	192.1
[M-H]-	350.14699	181.0
[M+Na-2H]-	372.12894	181.3
[M]+	351.15372	182.1
[M]-	351.15482	182.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.16155

182.1

[M+Na]+

374.14349

189.8

[M+NH4]+

369.18809

184.4

[M+K]+

390.11743

192.1

[M-H]-

350.14699

181.0

[M+Na-2H]-

372.12894

181.3

[M]+

351.15372

182.1

[M]-

351.15482

182.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6025-53-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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